2-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(4-propylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C22H27N4O3S+ MolecularWeight: 427.53978

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H26N4O3S/c1-2-5-17-8-10-18(11-9-17)30(28,29)26-14-12-25(13-15-26)16-21-23-20-7-4-3-6-19(20)22(27)24-21/h3-4,6-11H,2,5,12-16H2,1H3,(H,23,24,27)/p+1